1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol

C8H14O4 — CID 118448677

IUPAC1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol
SMILESCCC12OCC(O)C1C(O)C2O
InChIInChI=1S/C8H14O4/c1-2-8-5(4(9)3-12-8)6(10)7(8)11/h4-7,9-11H,2-3H2,1H3
InChIKeyPMNIFTCBWZJROV-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.12
Rot. Bonds1

About 1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol

1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol (PubChem CID 118448677) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol.

Molecular Properties

Compound Name1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol
PubChem CID118448677
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol
SMILESCCC12OCC(O)C1C(O)C2O
InChIInChI=1S/C8H14O4/c1-2-8-5(4(9)3-12-8)6(10)7(8)11/h4-7,9-11H,2-3H2,1H3
InChIKeyPMNIFTCBWZJROV-UHFFFAOYSA-N
XLogP-1.12
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol?
The IUPAC name of 1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol (CID 118448677) is 1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol.
What is the SMILES notation for 1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol?
The canonical SMILES for 1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol is CCC12OCC(O)C1C(O)C2O.
What is the InChIKey of 1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol?
The InChIKey is PMNIFTCBWZJROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-2-8-5(4(9)3-12-8)6(10)7(8)11/h4-7,9-11H,2-3H2,1H3.
What are the key properties of 1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol?
1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol has a molecular weight of 174.20 g/mol, XLogP of -1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol is sourced from PubChem (CID 118448677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).